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2-Methoxybenzophenone

CAT: 0926-FM67541-03Size: 50 gDry Ice: NoHazardous: No
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CAT#:0926-FM67541-03Size:50 g
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CAS Number
2553-04-0
MDL Number
MFCD00017163
Smiles
COC1=CC=CC=C1C (=O) C2=CC=CC=C2
Molecular Formula
C14H12O2
Molecular Weight
212.24 g/mol
Controlled
No

Chemical Information

2-Methoxybenzophenone
CAS Number2553-04-0
PubChem CID75702
IUPAC Name(2-methoxyphenyl)-phenylmethanone
Molecular FormulaC14H12O2
Molecular Weight212.24
XLogP2.9
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity231
SMILES
COC1=CC=CC=C1C(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H12O2/c1-16-13-10-6-5-9-12(13)14(15)11-7-3-2-4-8-11/h2-10H,1H3
InChIKey
CSUUDNFYSFENAE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methoxybenzophenone
CAS: 2553-04-0
CID: 75702
Formula: C14H12O2
MW: 212.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight212.24
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass212.083729621
Monoisotopic Mass212.083729621
Topological Polar Surface Area26.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity231
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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